SCHEMBL2451697

SCHEMBL2451697

Cc1cc(N2CCC[C@H]2C(F)(F)F)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HRH3 Q9Y5N1 4/20 0.46
HRH4 Q9H3N8 1/20 0.45
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.40
PDE10A Q9Y233 2/20 0.39
PIK3C3 Q8NEB9 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
MAP4K1 Q92918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1317242 0.83 MAPT (0.48) SMN1; SMN2HRH3HRH4MAPTPDE10A
SCHEMBL5791956 0.80 CRHBP (0.55) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL6603334 0.76 CRHBP (0.51) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL5790289 0.75 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491405 0.73 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491459 0.73 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21491406 0.73 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL21516564 0.73 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL29456355 0.73 CRHBP (0.59) CRHBPCRHR2SMN1; SMN2HRH3HRH4
SCHEMBL1318233 0.71 CYP11B2 (0.45) HRH3HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed